In Silico Identification of Metabolic Soft Spots: Case Study Using ACD/ADME Suite Software

In this application poster, ACD/Labs present a case study illustrating how this workflow can be facilitated by in silico regioselectivity prediction tools. Presented examples demonstrate the performance of the ACD/ADME Suite software in identification of their most likely metabolites, thus providing an insight on the structural modifications needed to achieve optimal metabolic stability.